Molecule ID: mol18343

SMILES: CCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C

InChI: InChI=1S/C16H23NO/c1-4-17-8-7-16(3)11(2)15(17)9-12-5-6-13(18)10-14(12)16/h5-6,10-11,15,18H,4,7-9H2,1-3H3/t11-,15?,16-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.42 OCHEM 0 » -1
9.42 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization